5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide

C15H13N5O — CID 3053681

IUPAC5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)nnn1-c1ccncc1
InChIInChI=1S/C15H13N5O/c1-11-14(15(21)17-12-5-3-2-4-6-12)18-19-20(11)13-7-9-16-10-8-13/h2-10H,1H3,(H,17,21)
InChIKeyWBNOEOUWJYXEOF-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds3

About 5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide

5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide (PubChem CID 3053681) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide
PubChem CID3053681
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)nnn1-c1ccncc1
InChIInChI=1S/C15H13N5O/c1-11-14(15(21)17-12-5-3-2-4-6-12)18-19-20(11)13-7-9-16-10-8-13/h2-10H,1H3,(H,17,21)
InChIKeyWBNOEOUWJYXEOF-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide (CID 3053681) is 5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccncc1.
What is the InChIKey of 5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide?
The InChIKey is WBNOEOUWJYXEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-11-14(15(21)17-12-5-3-2-4-6-12)18-19-20(11)13-7-9-16-10-8-13/h2-10H,1H3,(H,17,21).
What are the key properties of 5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide?
5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 3053681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).